N-[14-(4-methylphenyl)sulfonyltetradecyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[14-(4-methylphenyl)sulfonyltetradecyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: 6-(4-isopropylpiperazin-1-yl)-N-[14-(p-tolylsulfonyl)tetradecyl]pyridine-3-carboxamide CAS Name: N-[14-(4-methylphenyl)sulfonyltetradecyl]-6-(4-propan-2-yl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-[14-(4-methylphenyl)sulfonyltetradecyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: 6-(4-isopropylpiperazino)-N-(14-tosyltetradecyl)nicotinamide Formula: C34H54N4O3S MolecularWeight: 598.88256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCCCCCCCCCCCCNC(=O)C2=CN=C(C=C2)N3CCN(CC3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCCCCCCCCCCCCNC(=O)C2=CN=C(C=C2)N3CCN(CC3)C(C)C

InChI

InChI=1S/C34H54N4O3S/c1-29(2)37-23-25-38(26-24-37)33-21-18-31(28-36-33)34(39)35-22-14-12-10-8-6-4-5-7-9-11-13-15-27-42(40,41)32-19-16-30(3)17-20-32/h16-21,28-29H,4-15,22-27H2,1-3H3,(H,35,39)